SCHEMBL6207614

SCHEMBL6207614

CNc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.59
HTR4 Q13639 3/20 0.52
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
KCNH2 Q12809 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4850736 0.91 CCR2 (0.55) CCR2HTR4HDAC3HDAC4HDAC1
SCHEMBL4845881 0.91 CCR2 (0.63) CCR2HTR4DRD2DRD4DRD3
SCHEMBL6206317 0.88 CCR2 (0.74) CCR2HTR4KCNH2CACNA1I
SCHEMBL4847407 0.85 CCR2 (0.59) CCR2HTR4HDAC3HDAC4HDAC1
SCHEMBL6205584 0.85 CCR2 (0.63) CCR2HTR4HDAC3HDAC4HDAC1
SCHEMBL4847632 0.84 CCR2 (0.59) CCR2HTR4HDAC3HDAC4HDAC1
SCHEMBL4843005 0.84 CCR2 (0.54) CCR2HTR4DRD2DRD4DRD3
SCHEMBL4840620 0.83 HTR4 (0.58) CCR2HTR4DRD2DRD4DRD3
SCHEMBL4844643 0.83 CCR2 (0.67) CCR2HTR4DRD2DRD4DRD3
SCHEMBL4845789 0.82 CCR2 (0.55) CCR2HTR4DRD2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP claimed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP claimed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US claimed